N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine

C15H24N2O — CID 43607235

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
SMILESCc1ccc(OCCN(C)C2CCNCC2)cc1
InChIInChI=1S/C15H24N2O/c1-13-3-5-15(6-4-13)18-12-11-17(2)14-7-9-16-10-8-14/h3-6,14,16H,7-12H2,1-2H3
InChIKeyRAOFSRMGYXVSSQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine

N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine (PubChem CID 43607235) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
PubChem CID43607235
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
SMILESCc1ccc(OCCN(C)C2CCNCC2)cc1
InChIInChI=1S/C15H24N2O/c1-13-3-5-15(6-4-13)18-12-11-17(2)14-7-9-16-10-8-14/h3-6,14,16H,7-12H2,1-2H3
InChIKeyRAOFSRMGYXVSSQ-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine (CID 43607235) is N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine is Cc1ccc(OCCN(C)C2CCNCC2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine?
The InChIKey is RAOFSRMGYXVSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-3-5-15(6-4-13)18-12-11-17(2)14-7-9-16-10-8-14/h3-6,14,16H,7-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine?
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine is sourced from PubChem (CID 43607235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).